Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,2'-Diaminodiphenyl sulfide |
EINECS | N/A |
CAS No. | 5873-51-8 | Density | 1.26 g/cm3 |
PSA | 77.34000 | LogP | 4.16460 |
Solubility | N/A | Melting Point |
85-88 °C(lit.) |
Formula | C12H12N2S | Boiling Point | 363.2 °C at 760 mmHg |
Molecular Weight | 216.307 | Flash Point | 173.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Aniline,2,2'-thiodi- (6CI,7CI,8CI);2,2'-Thiodianiline;Bis(2-aminophenyl) sulfide;Bis(o-aminophenyl) sulfide;2,2'-sulfanediyldianiline;Aniline, 2,2'-thiobis-;benzenamine, 2,2'-thiobis-;2,2'-Diamino diphenyl sulfide; |
Article Data | 17 |
The Benzenamine,2,2'-thiobis-, with the CAS registry number 16331-45-6 and EINECS registry number 5873-51-8, has the systematic name of 2,2'-sulfanediyldianiline. It belongs to the product category of Amines. And the molecular formula of the chemical is C12H12N2S.
The characteristics of Benzenamine,2,2'-thiobis- are as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.3; (6)ACD/BCF (pH 7.4): 7.34; (7)ACD/KOC (pH 5.5): 144.22; (8)ACD/KOC (pH 7.4): 145.01; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 31.78 Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 66.7 cm3; (15)Molar Volume: 171.1 cm3; (16)Polarizability: 26.44×10-24cm3; (17)Surface Tension: 64.8 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 173.5 °C; (20)Enthalpy of Vaporization: 60.92 kJ/mol; (21)Boiling Point: 363.2 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S(c1c(N)cccc1)c2ccccc2N
(2)InChI: InChI=1/C12H12N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2
(3)InChIKey: WRRQKFXVKRQPDB-UHFFFAOYAK